1,2-diheptylcyclopentane

C19H38 — CID 102061720

IUPAC1,2-diheptylcyclopentane
SMILESCCCCCCCC1CCCC1CCCCCCC
InChIInChI=1S/C19H38/c1-3-5-7-9-11-14-18-16-13-17-19(18)15-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyCZFCKCNAYGYWFK-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.12
Rot. Bonds12

About 1,2-diheptylcyclopentane

1,2-diheptylcyclopentane (PubChem CID 102061720) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1,2-diheptylcyclopentane.

Molecular Properties

Compound Name1,2-diheptylcyclopentane
PubChem CID102061720
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1,2-diheptylcyclopentane
SMILESCCCCCCCC1CCCC1CCCCCCC
InChIInChI=1S/C19H38/c1-3-5-7-9-11-14-18-16-13-17-19(18)15-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyCZFCKCNAYGYWFK-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
3-(2-octylcyclopentyl)propanoic acid
CID 57357948

Frequently Asked Questions

What is the IUPAC name of 1,2-diheptylcyclopentane?
The IUPAC name of 1,2-diheptylcyclopentane (CID 102061720) is 1,2-diheptylcyclopentane.
What is the SMILES notation for 1,2-diheptylcyclopentane?
The canonical SMILES for 1,2-diheptylcyclopentane is CCCCCCCC1CCCC1CCCCCCC.
What is the InChIKey of 1,2-diheptylcyclopentane?
The InChIKey is CZFCKCNAYGYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-3-5-7-9-11-14-18-16-13-17-19(18)15-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of 1,2-diheptylcyclopentane?
1,2-diheptylcyclopentane has a molecular weight of 266.51 g/mol, XLogP of 7.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diheptylcyclopentane is sourced from PubChem (CID 102061720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).